SCHEMBL9108112

SCHEMBL9108112

CCNC(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NCc3ccco3)CCc3cc(F)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.44
GAA P10253 2/20 0.38
XIAP P98170 6/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NPY1R P25929 2/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HIF1A Q16665 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9108111 1.00 GHSR (0.47) GHSRAGTR1GAAXIAPMAPT
SCHEMBL9025599 0.93 GHSR (0.42) GHSRAGTR1XIAPNPY1R
SCHEMBL9108986 0.93 GHSR (0.46) GHSRAGTR1GAAXIAPNPSR1
SCHEMBL9108993 0.93 GHSR (0.46) GHSRAGTR1GAAXIAPNPSR1
SCHEMBL9105901 0.92 GHSR (0.54) GHSRAGTR1GAAXIAPNPSR1
SCHEMBL9105908 0.92 GHSR (0.54) GHSRAGTR1GAAXIAPNPSR1
SCHEMBL9105594 0.92 GHSR (0.47) GHSRAGTR1XIAPMAPTNPY1R
SCHEMBL9105597 0.92 GHSR (0.47) GHSRAGTR1XIAPMAPTNPY1R
SCHEMBL9108452 0.92 GHSR (0.46) GHSRAGTR1GAAXIAPNPSR1
SCHEMBL9108446 0.92 GHSR (0.46) GHSRAGTR1GAAXIAPNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO claimed
US-5430144-A E.g, N-(1-((2'-((methoxycarbonyl)amino)(1,1'-biphenyl)-4-yl) methyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-3 ((fur-2-yl)methyl)amino-3-methylbutanamide MERCK & CO., INC. (US) 1995-07-04 US disclosed